Chemical ID: 4514901

c1cc(c(cc1C(=O)O)C(=O)Nc2ccncc2)C(=O)O
Chemical ID:
4514901
Name [?]:
2-(4-pyridylcarbamoyl)benzene-1,4-dicarboxylic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)C(=O)Nc2ccncc2)C(=O)O
InChi [?]:
InChI=1/C14H10N2O5/c17-12(16-9-3-5-15-6-4-9)11-7-8(13(18)19)1-2-10(11)14(20)21/h1-7H,(H,18,19)(H,20,21)(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,15,17,5,6,13,3,4,10,7,19,16,12,11,8,9,20,21/E:(3,4)(5,6)(18,19)(20,21)/rA:21nCCCCCCCOOCONCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s12;s13;d14;s15;d16;d13s17;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N2O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.87684
Area:467.003
Solvation:-4.79822
Coulombic:-77.8912
Bond Count [?]
All:22
Single:13
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.24
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.97
LogP (Chemaxon):-0.87

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Descriptor Annotations

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